SCHEMBL3336752

SCHEMBL3336752

CC(=O)Nc1ccc(-c2ccc3nc(NC(C)=O)nc(OC(C)(C)C)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.46
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK10 P53779 1/20 0.44
MAP4K4 O95819 1/20 0.43
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 6/20 0.42
PDE10A Q9Y233 2/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
PABPC1 P11940 1/20 0.42
ADORA3 P0DMS8 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CYP2C19 P33261 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3334908 0.90 ADORA3 (0.40) BRAFMAP4K4KDM4EALDH1A1HPGD
SCHEMBL3333273 0.90 KMT2A (0.47) BRAFHTTSMN1; SMN2L3MBTL1MAPK10
SCHEMBL3334664 0.87 MAP4K4 (0.47) BRAFHTTSMN1; SMN2L3MBTL1MAPK10
SCHEMBL3336432 0.87 BRAF (0.48) BRAFHTTSMN1; SMN2L3MBTL1MAPK10
SCHEMBL3340676 0.85 ACHE (0.50) KMT2AMEN1ALDH1A1ADORA3NPSR1
SCHEMBL3331750 0.84 TTK (0.48) BRAFHTTSMN1; SMN2L3MBTL1MAPK10
SCHEMBL3338081 0.84 BRAF (0.46) BRAFHTTSMN1; SMN2L3MBTL1MAPK10
SCHEMBL5127603 0.83 BRAF (0.36) BRAFSMN1; SMN2MAPK10MAP4K4KMT2A
SCHEMBL3335815 0.82 MAP4K4 (0.57) BRAFHTTSMN1; SMN2L3MBTL1MAPK10
SCHEMBL3335653 0.82 SYK (0.45) BRAFHTTSMN1; SMN2L3MBTL1MAPK10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US claimed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US claimed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 BRAF 2516/4885HTT 3738/4885SMN1; SMN2 3749/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.